CHEBI:31463 - delphinidin 3-O-β-D-glucoside

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ChEBI Name delphinidin 3-O-β-D-glucoside
ChEBI ID CHEBI:31463
ChEBI ASCII Name delphinidin 3-O-beta-D-glucoside
Definition An anthocyanin cation consisting of delphinidin having a β-D-glucosyl residue attached at the 3-hydroxy position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H21O12
Net Charge +1
Average Mass 465.38420
Monoisotopic Mass 465.103
InChI InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
InChIKey XENHPQQLDPAYIJ-PEVLUNPASA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing delphinidin 3-O-β-D-glucoside (CHEBI:31463) has functional parent delphinidin (CHEBI:28436)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) has role plant metabolite (CHEBI:76924)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) is a β-D-glucoside (CHEBI:22798)
delphinidin 3-O-β-D-glucoside (CHEBI:31463) is a anthocyanin cation (CHEBI:35218)
IUPAC Name
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-glucopyranoside
Synonyms Sources
delfinidin 3-O-β-D-glucoside ChEBI
Delphinidin 3-glucoside KEGG COMPOUND
Delphinidin 3-O-beta-D-glucoside KEGG COMPOUND
Delphinidin 3-O-glucoside KEGG COMPOUND
Database Links Databases
C00006698 KNApSAcK
C12138 KEGG COMPOUND
Delphinidin-3-O-glucoside Wikipedia
HMDB0037997 HMDB
LMPK12010278 LIPID MAPS
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Registry Numbers Types Sources
1695888 Beilstein Registry Number Beilstein
1695888 Reaxys Registry Number Reaxys
50986-17-9 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
24493900 PubMed citation Europe PMC
Last Modified
08 January 2016
General Comment
2014-03-24 The cell wall of the yeast, Saccharomyces cerevisiae, is permeable to anthocyanins as a result of which the latter can be retained by yeast during wine making.